Geometry & MOs

Info

ID:	387826
PubChem CID:	134987063
Reduced:	NOS2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	1.14
Dipole, Da:	6.4
IP(EA), eV:	-8.69(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-6,8-dimethoxyisoquinoline

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)SC)C(=O)C=C1S

DOS

IR

Vibrations